N-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine

C14H25N3S — CID 82514954

IUPACN-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine
SMILESCCCCNCc1csc(N2CCC(C)CC2)n1
InChIInChI=1S/C14H25N3S/c1-3-4-7-15-10-13-11-18-14(16-13)17-8-5-12(2)6-9-17/h11-12,15H,3-10H2,1-2H3
InChIKeyIPIJOWIIKOSYJM-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.27
Rot. Bonds6

About N-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine

N-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine (PubChem CID 82514954) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine
PubChem CID82514954
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine
SMILESCCCCNCc1csc(N2CCC(C)CC2)n1
InChIInChI=1S/C14H25N3S/c1-3-4-7-15-10-13-11-18-14(16-13)17-8-5-12(2)6-9-17/h11-12,15H,3-10H2,1-2H3
InChIKeyIPIJOWIIKOSYJM-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 82514930
N-[[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 107459872
N-[[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66458129
4-[4-(propylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile
CID 79680633
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanamine
CID 63595044
2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63389754
2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
CID 62750149
N-[[2-(4-methylazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63627201
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82514904
N-[[4-cyclopropyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63916847
4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole
CID 70955040
4-[[2-(4-methylcyclohexyl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103252770

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
The IUPAC name of N-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine (CID 82514954) is N-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine is CCCCNCc1csc(N2CCC(C)CC2)n1.
What is the InChIKey of N-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
The InChIKey is IPIJOWIIKOSYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-4-7-15-10-13-11-18-14(16-13)17-8-5-12(2)6-9-17/h11-12,15H,3-10H2,1-2H3.
What are the key properties of N-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
N-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 82514954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).